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Transketolase-IN-2

CAT: 0931-T72557-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72557-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2757552-21-7
Target
Others, Transketolase
Related Pathways
Metabolism, Others
Bioactivity
Transketolase-IN-2 is a potent inhibitor of Transketolase, demonstrating significant inhibitory effects on Digitaria sanguinalis and Amaranthus retroflexus, with over 90% inhibition at 200 mg/L and approximately 80% at 100 mg/L. This compound is relevant for research in weed control.
Smiles
O=C1C=2C=3C(C(=O)N1C(=O)C4=C(C(F)(F)F)N=C(C)S4)=CC=CC3C=CC2
Molecular Formula
C18H9F3N2O3S
Molecular Weight
390.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Transketolase-IN-2
CAS Number2757552-21-7
PubChem CID165437255
IUPAC Name2-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]benzo[de]isoquinoline-1,3-dione
Molecular FormulaC18H9F3N2O3S
Molecular Weight390.3
XLogP4.3
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity641
SMILES
CC1=NC(=C(S1)C(=O)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(F)(F)F
InChI
InChI=1S/C18H9F3N2O3S/c1-8-22-14(18(19,20)21)13(27-8)17(26)23-15(24)10-6-2-4-9-5-3-7-11(12(9)10)16(23)25/h2-7H,1H3
InChIKey
DSBLHEOFYWPYFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Transketolase-IN-2
CAS: 2757552-21-7
CID: 165437255
Formula: C18H9F3N2O3S
MW: 390.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.3
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass390.02859781
Monoisotopic Mass390.02859781
Topological Polar Surface Area95.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA8368-25Transketolase-IN-2
493935TKTL2 (Transketolase-Like Protein 2, Transketolase-Like 2)
365322TKTL1 (Transketolase Like Protein 1, TKR, TKT2, TK 2, Transketolase-related protein, Transketolase 2)
337932Transketolase
134475TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR)
134475-FITCTKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) (FITC)
134475-PETKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) (PE)
MBS6139515-01TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) APC
134475-HRPTKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) (HRP)
MBS6134212-01TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) (AP)

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